Trans,trans-1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one

Base Information

• Chemical Name: Trans,trans-1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one
• CAS No.: 103836-71-1
• Molecular Formula: C19H12F6O
• Molecular Weight: 370.294
• European Community (EC) Number: 808-685-5
• Nikkaji Number: J2.125.001E
• Wikidata: Q76305662
• ChEMBL ID: CHEMBL498591
• Mol file: 103836-71-1.mol

Synonyms:103836-71-1;Trans,trans-1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one;42160-07-6;1,5-bis(4-(trifluoromethyl)phenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-Bis(4-(trifluoromethyl)phenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;CHEMBL498591;(1E,4E)-1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one;SCHEMBL8781291;1,5-Bis[4-trifluoromethylphenyl]-1,4-pentadiene-3-one;1,5-Bis(4-trifluoromethylphenyl)-penta-1,4-diene-3-one;BDBM50265040;MFCD05662426;Bis[4-(trifluoromethyl)styryl] ketone;AS-72066;B4468;CS-0095537;A924030;trans,trans-Bis[4-(trifluoromethyl)benzal]acetone;trans,trans-Bis[4-(trifluoromethyl)styryl] Ketone;trans,trans-Bis[4-(trifluoromethyl)benzylidene]acetone;1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one;(1E,4E)-1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one #

Chemical Property of Trans,trans-1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one

Chemical Property:

• PSA: 17.07000
• LogP: 6.01990
• Storage Temp.: 2-8°C
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 370.07923397
• Heavy Atom Count: 26
• Complexity: 469

Purity/Quality:

98%,99%, ^*data from raw suppliers

trans,trans-1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one >98.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC(=O)C=CC2=CC=C(C=C2)C(F)(F)F)C(F)(F)F
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)/C=C/C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F

Technology Process of Trans,trans-1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one

There total 5 articles about Trans,trans-1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.3%

4-Trifluoromethylbenzaldehyde (455-19-6) + acetone (67-64-1) → 1,5-bis(4-trifluoromethylphenyl)-1,4-pentadiene-3-one (103836-71-1,103836-73-3,103836-74-4,42160-07-6)

Guidance literature:

With tri-n-octylammonium bromide; sodium hydroxide; In cyclohexane; for 3h; Reflux; Inert atmosphere;

Reference yield: 84.0%

4-Trifluoromethylbenzaldehyde (455-19-6) + acetone (67-64-1) → 1,5-bis(α,α,α-trifluoro-p-tolyl)-1,4-pentadien-3-one (103836-71-1)

Guidance literature:

With sodium hydroxide; In ethanol; water;

DOI:10.1016/j.bmc.2005.11.035

Reference yield: 83.0%

→ 1,5-bis(α,α,α-trifluoro-p-tolyl)-1,4-pentadien-3-one (103836-71-1)

Guidance literature:

upstream raw materials:

4-Trifluoromethylbenzaldehyde

acetone

Downstream raw materials:

1,5-bis[4-(trifluoromethyl)phenyl]-3-pentanone

Refernces

• 1、 Tanemura, Kiyoshi. "Silica gel-mediated self-aldol reactions of highly volatile aldehydes under organic solvent-free conditions without reflux condenser". . p. 1924 - 1928. Retrieved 2019/06/24.
• 2、 Castellanos-Blanco, Nahury,Flores-Alamo, Marcos,García, Juventino J.. "Tandem hydrogenation and condensation of fluorinated α,β-unsaturated ketones with primary amines, catalyzed by nickel". supporting information. p. 15653 - 15663. Retrieved 2015/09/07.